ChemSpider 2D Image | (2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | C10H18O

(2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol

  • Molecular FormulaC10H18O
  • Average mass154.249 Da
  • Monoisotopic mass154.135757 Da
  • ChemSpider ID388653
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol [ACD/IUPAC Name]
(2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol [German] [ACD/IUPAC Name]
(2S)-1,7,7-Triméthylbicyclo[2.2.1]heptan-2-ol [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (2S)- [ACD/Index Name]
(3S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
1212441-87-6 [RN]
1822303-51-4 [RN]
464-43-7 [RN]
464-45-9 [RN]
ISOBORNEOL [Wiki]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C01765 [DBID]
CHEBI:15393 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Gas Chromatography
    • Retention Index (Kovats):

      1140 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 220 C; End time: 3 min; CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V., Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India, Flavour Fragr. J., 21, 2006, 423-426.) NIST Spectra nist ri
      1142 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Description: 60C=>5C/min=>220C(5min)=>3C/min=>245C(5min); CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S., Essential oil composition of Cymbopogon martinii from different places in India, Flavour Fragr. J., 18, 2003, 312-315.) NIST Spectra nist ri
      1158 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 220 C; CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K., Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India, Flavour Fragr. J., 17, 2002, 404.) NIST Spectra nist ri
      1159 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V., The essential oil of 'greater galangal' [Alpinia galanga (L.) Willd.] from the lower Himalayan region of India, Flavour Fragr. J., 17, 2002, 358-360.) NIST Spectra nist ri
      1148 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.55 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K., Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India, Flavour Fragr. J., 17, 2002, 99-102.) NIST Spectra nist ri
      1144 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 220 C; End time: 13 min; CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K., Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India, Flavour Fragr. J., 17, 2002, 165-168.) NIST Spectra nist ri
      1154 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 28 m; Column type: Capillary; Heat rate: 4.5 K/min; Start T: 50 C; End T: 270 C; Start time: 1 min; CAS no: 124765; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Nagalakshmi, M.A.H.; Thangadurai, D.; Anuradha, T.; Pullaiah, T., Essential oil constituents of Melia dubia, a wild relative of Azadirachta indica growing in the Eastern Ghats of Peninsular India, Flavour Fragr. J., 16, 2001, 241-244.) NIST Spectra nist ri
      1188 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 260 C; CAS no: 124765; Active phase: BP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Vera, R.R.; Chane-Ming, J., Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island, Food Chem., 66, 1999, 143-145.) NIST Spectra nist ri
      1154.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.35 mm; Column length: 40 m; Column type: Capillary; Start T: 100 C; CAS no: 124765; Active phase: SE-30; Phase thickness: 0.35 um; Data type: Kovats RI; Authors: Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 779, 1997, 287-297.) NIST Spectra nist ri
      1156 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 246 C; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 28, 2000, 975-989., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 200 C; CAS no: 124765; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Menut, C.; Molangui, T.; Lamaty, G.E.; Bessiere, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessiere, J.-M.; Habimana, J.-B., Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda, J. Agric. Food Chem., 43, 1995, 1267-1271.) NIST Spectra nist ri
      1152 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 65 C; End T: 220 C; Start time: 2 min; CAS no: 124765; Active phase: BP-1; Carrier gas: H2; Data type: Kovats RI; Authors: Ekundayo, O.; Laakso, I.; Adegbola, R.-M.; Oguntimein, B.; Sofowora, A.; Hiltunen, R., Essential oil constituents of Ashanti pepper (Piper guineense) fruits (berries), J. Agric. Food Chem., 36(5), 1988, 880-882.) NIST Spectra nist ri
      1169 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 60C(1min)=> 3C/min =>70C=>15C/min=>170C(8min)=> 5C/min =>250C; CAS no: 124765; Active phase: CP Sil 8 CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Radusiene, J.; Judzentiene, A.; Bernotiene, G., Essential oil composition and variability of Hypericum perforatum L. growing in Lithuania, Biochem. Syst. Ecol., 33, 2005, 113-124.) NIST Spectra nist ri
      1160 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 280 C; End time: 10 min; Start time: 2 min; CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Baranauskiene, R.; Venskutonis, P.R.; Viskelis, P.; Dambrauskiene, E., Influence of nitrogen fertilizers on the yield and composition of thyme (Thymus vulgaris), J. Agric. Food Chem., 51, 2003, 7751-7758.) NIST Spectra nist ri
      1146 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 280 C; CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Couladis, M.; Chinou, I.B.; Tzakou, O.; Petrakis, P.V., Composition and antimicrobial activity of the essential oil of Hypericum rumeliacum subsp. apollinis (Boiss. & Heldr.), Phytother. Res., 17, 2003, 152-154.) NIST Spectra nist ri
      1656 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 260 C; CAS no: 124765; Active phase: Carbowax 20M; Phase thickness: 0.2 um; Data type: Kovats RI; Authors: Vera, R.R.; Chane-Ming, J., Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island, Food Chem., 66, 1999, 143-145.) NIST Spectra nist ri
      1660 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 260 C; CAS no: 124765; Active phase: Carbowax 20M; Phase thickness: 0.2 um; Data type: Kovats RI; Authors: Vera, R.R.; Chane-Ming, J., Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island, Food Chem., 66, 1999, 143-145.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1142 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 124765; Active phase: CB-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K., Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil, Anthropod-Plant Interactions, 2, 2008, 31-41., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 9 K/min; Start T: 50 C; End T: 280 C; End time: 3 min; Start time: 3 min; CAS no: 124765; Active phase: HP-5; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K., Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire, Flavour Fragr. J., 21, 2006, 129-133.) NIST Spectra nist ri
      1151 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40 0C (2 min) ^ 4 0C/min -> 180 0C ^ 20 0C/min -> 220 0C (1 min); CAS no: 124765; Active phase: CB-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K., Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil, Anthropod-Plant Interactions, 2, 2008, 31-41., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 230 C; End time: 30 min; Start time: 5 min; CAS no: 124765; Active phase: Ultra 2; Carrier gas: Helium; Phase thickness: 0.11 um; Data type: Normal alkane RI; Authors: Byun, Y.; Shin, S., Analysis of compounds and activity of essential oil from Chrysanthemum zawadskii var. latilobum and C. indicum agaunst antibiotic-resistant pathogenic bacteria, Nat. Prod. Sci., 14(2), 2008, 138-142., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 220 C; Start time: 1 min; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Data type: Normal alkane RI; Authors: de Oliveira, R.N.; Dias, I.J.M.; Camara, C.A.G., Estudo comparativo do oleo essencial de Eugenia punicifolia (HBK) DC. de diferentes localidades de Pernambuco, Rev. Bras. Farmacogn., 15(1), 2005, 39-43., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 250 C; CAS no: 124765; Active phase: DB-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Mahalwal, V.S.; Ali, M., Volatile constituents of Cymbopogon nardus (Linn.) rendle, Flavour Fragr. J., 18, 2003, 73-76.) NIST Spectra nist ri
      1160 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 280 C; CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Basta, A.; Pavlovic, M.; Couladis, M.; Tzakou, O., Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece, Flavour Fragr. J., 22, 2007, 197-200., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 250 C; End time: 15 min; Start time: 5 min; CAS no: 124765; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Facundo, V.A.; Pinto, A.C.; Rezende, C.M., Aroma compounds and volatile chemical composition of Ruellia menthoides (Nees) Hiern, Flavour Fragr. J., 20, 2005, 93-95., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 246 C; CAS no: 124765; Active phase: Elite-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Raj, G.; Baby, S.; Dan, M.; Thaha, A.R.M.; Sethuraman, M.G.; George, V., Volatile constituents from the rhisomes of Curcuma haritha Mangaly and Sabu from Sauthern India, Flavour Fragr. J., 23, 2008, 348-352.) NIST Spectra nist ri
      1162 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 60C(2min) => 5C/min =>160C(1min) =>10C/min =>250C (5min); CAS no: 124765; Active phase: CP Sil 8 CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Judzentiene, A.; Buzelyte, J., Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania, Chemija, 17(1), 2006, 12-15., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; CAS no: 124765; Active phase: DB-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Alim, A.; Goze, I.; Cetin, A.; Atas, A.; Vural, N.; Donmez, E., Antimicrobial activity of the essential oil of Cyclotrichimun niveum (Boiss.) Manden. Et Scheng, African J. Microbiol. Res., 3(8), 2009, 422-425., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 9 K/min; Start T: 80 C; End T: 200 C; End time: 10 min; CAS no: 124765; Active phase: HP-5; Carrier gas: He; Data type: Normal alkane RI; Authors: Lis-Balchin, M.; Roth, G., Composition of the essential oils of Pelargonium odoratissimum, P. exstipulatum, and P. x fragrans (Geraniaceae) and their bioactivity, Flavour Fragr. J., 15, 2000, 391-394., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; CAS no: 124765; Active phase: Elite-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Raj, G.; Baby, S.; Dan, M.; Thaha, A.R.M.; Sethuraman, M.G.; George, V., Volatile constituents from the rhisomes of Curcuma haritha Mangaly and Sabu from Sauthern India, Flavour Fragr. J., 23, 2008, 348-352.) NIST Spectra nist ri
      1145 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 5 min; CAS no: 124765; Active phase: HP-5 MS; Carrier gas: Nitrogen; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Marzouk, Z.; Mansour, H.B.; Chraief, I.; Mosrati, R.; Cheriaa, J.; Neffati, A.; Marzouk, B.; Sfari, M.; Boukef, K.; Barillies, D.; Ghedira, L.C., Chemical composition, antibacterial and antimutagenic activities of four populations of Rosmarinus officinalis L. oils from Tunisia, J. Food Agriculture & Environment, 4(2), 2006, 89-94., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 5 min; CAS no: 124765; Active phase: HP-5; Carrier gas: N2; Phase thickness: 0.52 um; Data type: Normal alkane RI; Authors: Marzouk, Z.; Neffati, A.; Marzouk, B.; Chraief, I.; Fathia, K.; Ghedira, L.C.; Boukef, K., Chemical composition and antibacterial and antimutagenic activity of Tunisian Rosmarinus officinalis L. oil from Kasrine, Journal of Food, Agriculture & Environment, 4(3&4), 2006, 61-65., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 70 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.2 um; Data type: Normal alkane RI; Authors: Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J., In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis, Ind. Crops Prod., 26, 2007, 135-141.) NIST Spectra nist ri
      1137 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 250 C; End time: 40 min; CAS no: 124765; Active phase: HP-1; Carrier gas: He; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 54, 2006, 6308-6313.) NIST Spectra nist ri
      1130 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 250 C; End time: 10 min; Start time: 1 min; CAS no: 124765; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Wong, K.C.; Sivasothy, Y.; Boey, P.L., Essential oil of Elettariopsis elan C.K. Lim, Flavour Fragr. J., 21, 2006, 562-564.) NIST Spectra nist ri
      1157 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 280 C; CAS no: 124765; Active phase: DB-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Georgiou, C.; Koutsaviti, A.; Bazos, I.; Tzakou, O., Chemical composition of Echinophora tenuifolia subsp. sibthorpiana essential oil from Greece, Rec. Nat. Prod., 4(3), 2010, 167-170., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 220 C; End time: 15 min; Start time: 5 min; CAS no: 124765; Active phase: SPB-5; Carrier gas: He; Data type: Normal alkane RI; Authors: Cornu, A.; Carnat, A.-P.; Martin, B.; Coulon, J.-B.; Lamaison, J.-L.; Berdague, J.-L., Solid-phase microextraction of volatile components from natural grassland plants, J. Agric. Food Chem., 49, 2001, 203-209., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.24 mm; Column length: 50 m; Column type: Capillary; CAS no: 124765; Active phase: OV-101; Carrier gas: He; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, , 1987, 101-106, In original 101-106., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 12.5 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 270 C; CAS no: 124765; Active phase: Methyl Silicone; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ricci, D.; Fraternale, D.; Giamperi, L.; Bucchini, A.; Epifano, F.; Burini, G.; Curini, M., Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae), J. Ethnopharmacol., 98, 2005, 195-200., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2.5 K/min; Start T: 70 C; End T: 270 C; Start time: 5 min; CAS no: 124765; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R., Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry, J. Chromatogr. A, 697, 1995, 501-513., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 210 C; CAS no: 124765; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Nishimura, O., Identification of the characteristic odorants in fresh rhizomes of ginger (Zingiber officinale Roscoe) using aroma extract dilution analysis and modified multidimensional gas chromatography-mass spectroscopy, J. Agric. Food Chem., 43, 1995, 2941-2945., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 124765; Active phase: OV-101; Data type: Normal alkane RI; Authors: Shibamoto, T., Retention Indices in Essential Oil Analysis, in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s), Hutchig Verlag, Heidelberg, New York, 1987, 259-274.) NIST Spectra nist ri
      1153 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 40 0C (5 min) ^ 5 0C/min -> 230 0C ^ 30 0C/min -> 280 0C (5 min); CAS no: 124765; Active phase: Optima-5MS; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G., Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae), J. Chromatorg. A., 1216, 2009, 2768-2775., Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 12 m; Column type: Capillary; Description: 35C(3min)=> 6C/min=>190C=> 30C/min =>225C; CAS no: 124765; Active phase: HP-1; Phase thickness: 0.52 um; Data type: Normal alkane RI; Authors: Carpino, S.; Mallia, S.; Licitra, G.; van Soest, P.J.; Acree, T.E., Aroma compounds of some Hyblean pasture species, Flavour Fragr. J., 19, 2004, 293-297.) NIST Spectra nist ri
      1150 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 50 0C (5 min) ^ 5 0C/min -> 165 0C ^ 4 0C/min -> 230 0C; CAS no: 124765; Active phase: SE-30; Carrier gas: He; Data type: Normal alkane RI; Authors: Li, C.; Wu, H.; Yang, L.; ren, Y., Study of the composition of ginger oil from Laifeng, Flavour Fragr. Cosmetics, , 2002, 15-17., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; CAS no: 124765; Active phase: SE-30; Carrier gas: He; Data type: Normal alkane RI; Authors: Li, C.; Wu, H.; Yang, L.; ren, Y., Study of the composition of ginger oil from Laifeng, Flavour Fragr. Cosmetics, , 2002, 15-17., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 124765; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 33(1), 1997, 16-28, In original 16-28., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 124765; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1149 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2.5 m; Column type: Packed; CAS no: 124765; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G 60-80mesh DMCS; Data type: Normal alkane RI; Authors: Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami, Essential oil constituents of Piper cubeba L. fils. from Indonesia, J. Essent. Oil Res., 19(1), 2007, 14-17., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 290 C; CAS no: 124765; Active phase: DB-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J., Essential oil constituents of Piper cubeba from Indonesia, 2006., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 290 C; CAS no: 124765; Active phase: DB-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J., Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 12.5 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 270 C; CAS no: 124765; Active phase: Methyl Silicone; Carrier gas: He; Data type: Normal alkane RI; Authors: Curini, M.; Bianchi, A.; Epifano, F.; Bruni, R.; Torta, L.; Zambonelli, A., Composition and in vitro antifungal activity of essential oils of Erigeron canadensis and Myrtus communis from France, Chem. Nat. Compd. (Engl. Transl.), 39(2), 2003, 191-194, In original 144-146.) NIST Spectra nist ri
      1150.8 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 80 0C (2 min) ^ 10 0C/min -> 240 0C ^ 20 0C/min -> 280 (10 min); CAS no: 124765; Active phase: DB-1; Carrier gas: He; Data type: Normal alkane RI; Authors: Ucar, G.; Balaban, M.; Usta, M., Volatile needle and wood extract or oriental spruce Picea orientalis (L.) link, Flavour Fragr. J., 18, 2003, 368-375.) NIST Spectra nist ri
      1146 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 9 K/min; Start T: 50 C; End T: 280 C; End time: 3 min; Start time: 3 min; CAS no: 124765; Active phase: HP-5; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K., Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire, Flavour Fragr. J., 21, 2006, 129-133., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 80 C; End T: 200 C; End time: 20 min; CAS no: 124765; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Menon, A.N.; Chacko, S.; Narayanan, C.S., Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill), Flavour Fragr. J., 14, 1999, 65-68., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 250 C; CAS no: 124765; Active phase: OV-101; Carrier gas: He; Phase thickness: 0.5 um; Data type: Normal alkane RI; Authors: Orav, A.; Kailas, T.; Muurisepp, M., Composition of blackcurrant aroma isolated from leaves, buds, and berries of Ribes nigrum L., Proc. Est. Acad. Sci. Chem., 51(4), 2002, 225-234., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.50 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 220 C; End time: 10 min; CAS no: 124765; Active phase: BP-1; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Das, M.; Ram, G.; Singh, A.; Mallavarapu, G.R.; Ramesh, S.; Ram, M.; Kumar, S., Volatile constituents of different plant parts of Chamomilla recutita L. Rausch grown in the Indo-Gangetic plains, Flavour Fragr. J., 17, 2002, 9-12.) NIST Spectra nist ri
      1159.8 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 100 C; End T: 260 C; CAS no: 124765; Active phase: RTX-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri
      1155 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 1)50C(1min)=>4C/min=>180C=>2C/min=>250C(10min) 2)50C(1min)=>6C/min=>200C=>12C/min=>250C(5min); CAS no: 124765; Active phase: OV-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kokdil, G., Composition of the essential oil of Clinopodium vulgare L. ssp. arundanum (Boiss.) Nyman collected from two different localities in Turkey, Flavour Fragr. J., 13, 1998, 170-172., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M., Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations, J. Chromatogr. A, 1025, 2004, 51-56., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 124765; Active phase: 5 % Phenyl methyl siloxane; Data type: Normal alkane RI; Authors: Sagrero-Nieves, L.; Bartley, J.P., Volatile Constituents from the Leaves of Chenopodium ambrosioides L., J. Essent. Oil Res., 7, 1995, 221-223.) NIST Spectra nist ri
      1132 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 45 0C ^ 3 0C/min -> 175 0C ^ 15 0C/min -> 240 0C (10 min); CAS no: 124765; Active phase: DB-1; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Barroso, J.G.; Figueiredo, A.C.; Pedro, L.G.; Antunes, T.; Sevinate-Pinto, I.; Fontinha, S.S.; Scheffer, J.J.C., Composition of the essential oil of teucrium heterophyllum L'Her. Grown on Madiera, Flavour Fragr. J., 11, 1996, 129-132., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 300 C; CAS no: 124765; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Scheffer, J.J.C., Composition of the essential oils from underground parts of Valeriana officinalis L. s.l. and several closely related taxa, Flavour Fragr. J., 12, 1997, 359-370.) NIST Spectra nist ri
      1141 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; End T: 280 C; End time: 5 min; Start time: 5 min; CAS no: 124765; Active phase: RSL-200; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K., Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India, Acta Pharm. Hung., 53, 2003, 73-81., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.24 mm; Column length: 50 m; Column type: Capillary; CAS no: 124765; Active phase: OV-101; Carrier gas: He; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, , 1987, 101-106, In original 101-106.) NIST Spectra nist ri
      1138 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 0 C; End T: 250 C; CAS no: 124765; Active phase: DB-1; Data type: Normal alkane RI; Authors: Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 33(2), 1985, 249-254.) NIST Spectra nist ri
      1163 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(3min) =>6C/min =>160C =>10C/min =>300C (10min); CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Yu, Y.; Huang, T.; Yang, B.; Liu, X.; Duan, G., Development of gas chromatography-mass spectrometry with microwave distillation and simultaneous solid-phase microextraction for rapid determination of volatile constituents in ginger, J. Pharm. Biomed. Anal., 43, 2007, 24-31., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 15 K/min; Start T: 60 C; End T: 275 C; CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Shams-Ardakani, M.; Ghannadi, A.; Badr, P.; Mohagheghzadeh, A., Biotransformation of terpenes and related compounds by suspension culture of Glycyrrhiza glabra L. (Papilionaceae), Flavour Fragr. J., 20, 2005, 141-144., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 40 C; End T: 230 C; CAS no: 124765; Active phase: DB-5; Carrier gas: Nitrogen; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 37, 2009, 206-213.) NIST Spectra nist ri
      1152 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 1 min; Start time: 1 min; CAS no: 124765; Active phase: HP-5; Carrier gas: Nitrogen; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z., Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia, Microbiol. Res., 163, 2008, 87-95.) NIST Spectra nist ri
      1166 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 30 C; End T: 246 C; CAS no: 124765; Active phase: Col-Elite 5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Gudaityte, O.; Venskutonis R.P., Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment, Biochem. Syst. Ecol., 35, 2007, 582-592.) NIST Spectra nist ri
      1169 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 60 0C (2 min) ^ 5 0C/min -> 160 0C (1 min) ^ 10 0C/min -> 280 0C (3 min); CAS no: 124765; Active phase: CP Sil 8 CB; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V., Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations, Plant Genetic Resources: Characterization and Utilization, 5(1), 2007, 37-44.) NIST Spectra nist ri
      1158 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 280 C; Start time: 5 min; CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Setzer, W.N.; Noletto, J.A.; Lawton, R.O.; Haber, W.A., Leaf essential oil composition of five Zanthoxylum species from Monteverde, Costa Rica, Molecular Diversity, 9, 2005, 3-13., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 6 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 200 C; End time: 15 min; Start time: 5 min; CAS no: 124765; Active phase: ZEBRON-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ozturk, M.; Akay, F.; Duru, M.E.; Bilsel, G.; Harmandar, M., The volatile oil constituents and biological activity of aerial part of Inula heterolepis Boiss., Proc. ICNP-2002 - Trabzon/Turkiye, , 2002, 298-303., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 280 C; End time: 2 min; Start time: 0.5 min; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ozel, M.Z.; Gogus, F.; Lewis, A.C., Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS, Anal. Chim. Acta., 566, 2006, 172-177., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; End T: 280 C; End time: 5 min; Start time: 5 min; CAS no: 124765; Active phase: RSL-200; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M., Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry, J. Chromatogr. A, 976, 2002, 265-275.) NIST Spectra nist ri
      1156 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C(0.2min)=> 3K/min => 186C =>10C/min =>240C (5min); CAS no: 124765; Active phase: BPX-5; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Judzentiene, A.; Mockute, D., The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania, Biochem. Syst. Ecol., 33, 2005, 487-498., Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 60C(1min)=>3C/min=>70C=>15C/min=>170C(8min) => 5C/min =>250C; CAS no: 124765; Active phase: CP-Sil 8CB-MS; Data type: Normal alkane RI; Authors: Mockute, D.; Bernotiene, G.; Judzentiene, A., Volatile compounds of the aerial parts of wild St. John's wort (Hypericum perforatum L.) plants, Chemija, 14(3), 2003, 108-111., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.22 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 70 C; End T: 230 C; End time: 20 min; Start time: 2 min; CAS no: 124765; Active phase: DB-5; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Mitiku, S.B.; Sawamura, M.; Itoh, T.; Ukeda, H., Volatile components of peel cold-pressed oils of two cultivars of sweet orange (Citrus sinensis (L.) Osbeck) from Ethiopia, Flavour Fragr. J., 15, 2000, 240-244., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 27 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 250 C; End time: 20 min; Start time: 2 min; CAS no: 124765; Active phase: DB-5HT; Carrier gas: He; Data type: Normal alkane RI; Authors: Yusufoglu, A.; Celik, H.; Kirbaslar, G., Utilization of Lavandula angustifolia Miller extracts as natural repellents, pharmaceutical and industrial auxiliaries, J. Serb. Chem. Soc., 69(1), 2004, 1-7., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Data type: Normal alkane RI; Authors: de Oliveira, R.N.; Dias, I.J.M.; Camara, C.A.G., Estudo comparativo do oleo essencial de Eugenia punicifolia (HBK) DC. de diferentes localidades de Pernambuco, Rev. Bras. Farmacogn., 15(1), 2005, 39-43., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 280 C; End time: 40 min; Start time: 10 min; CAS no: 124765; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 51, 2003, 3836-3839., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 280 C; Start time: 4 min; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kalvandi, R.; Sefidkon, F.; Atri, M.; Mirza, M., Analysis of the essential oil of Thymus eriocalyx from Iran, Flavour Fragr. J., 19, 2004, 341-343., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 124765; Active phase: DB-5; Data type: Normal alkane RI; Authors: Isidorov, V.; Zenkevich, I.; Sacharevich, T., Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants, Chem. Anal. (Warsaw), 42, 1997, 627-634, In original 627-634., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 250 C; End time: 15 min; Start time: 3 min; CAS no: 124765; Active phase: SPB-5; Carrier gas: He; Data type: Normal alkane RI; Authors: Stojanovic, G.; Palic, I.; Ursic-Jankovic, J., Composition and antimicrobial activity of the essential oil of Micromeria cristata and Micromeria juliana, Flavour Fragr. J., 21, 2006, 77-79.) NIST Spectra nist ri
      1172 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 60 C; End T: 250 C; End time: 10 min; Start time: 2 min; CAS no: 124765; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y., Chemical variation in the essential oil of Ephedra sinica from Northeastern China, Food Chem., 98, 2006, 52-58.) NIST Spectra nist ri
      1179 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 40 C; End T: 260 C; End time: 1 min; Start time: 4.6 min; CAS no: 124765; Active phase: ZB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Jurgens, A.; Dotterl, S., Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species, American Journal of Botany, 91(12), 2004, 1969-1980.) NIST Spectra nist ri
      1642 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 250 C; End time: 10 min; CAS no: 124765; Active phase: HP-20M; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Marzouk, Z.; Neffati, A.; Marzouk, B.; Chraief, I.; Fathia, K.; Ghedira, L.C.; Boukef, K., Chemical composition and antibacterial and antimutagenic activity of Tunisian Rosmarinus officinalis L. oil from Kasrine, Journal of Food, Agriculture & Environment, 4(3&4), 2006, 61-65., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 1 min; Start time: 1 min; CAS no: 124765; Active phase: HP-Innowax; Carrier gas: Nitrogen; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z., Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia, Microbiol. Res., 163, 2008, 87-95., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 5 min; CAS no: 124765; Active phase: HP-Wax; Carrier gas: Nitrogen; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Marzouk, Z.; Mansour, H.B.; Chraief, I.; Mosrati, R.; Cheriaa, J.; Neffati, A.; Marzouk, B.; Sfari, M.; Boukef, K.; Barillies, D.; Ghedira, L.C., Chemical composition, antibacterial and antimutagenic activities of four populations of Rosmarinus officinalis L. oils from Tunisia, J. Food Agriculture & Environment, 4(2), 2006, 89-94., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 9 K/min; Start T: 50 C; End T: 280 C; End time: 3 min; Start time: 3 min; CAS no: 124765; Active phase: Innowax; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K., Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire, Flavour Fragr. J., 21, 2006, 129-133.) NIST Spectra nist ri
      1665 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 70 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.2 um; Data type: Normal alkane RI; Authors: Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J., In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis, Ind. Crops Prod., 26, 2007, 135-141.) NIST Spectra nist ri
      1652 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 9 K/min; Start T: 50 C; End T: 280 C; End time: 3 min; Start time: 3 min; CAS no: 124765; Active phase: Innowax; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K., Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire, Flavour Fragr. J., 21, 2006, 129-133.) NIST Spectra nist ri
      1660 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 250 C; End time: 10 min; Start time: 1 min; CAS no: 124765; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Wong, K.C.; Sivasothy, Y.; Boey, P.L., Essential oil of Elettariopsis elan C.K. Lim, Flavour Fragr. J., 21, 2006, 562-564., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: He; Data type: Normal alkane RI; Authors: Chanegriha, N.; Baaliouamer, A., Evaluation of series-coupled gas chromatographic capillaries of different polarities. Application to the resolution of problem pairs of constituents in Algerian cypress essential oil, J. Chromatogr., 633, 1993, 163-168., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 124765; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Shibamoto, T., Retention Indices in Essential Oil Analysis, in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s), Hutchig Verlag, Heidelberg, New York, 1987, 259-274., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 124765; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1649 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 250 C; Start time: 60 min; CAS no: 124765; Active phase: Carbowax 20M; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Chemical composition of the essential oils from Turkish and Honduras Styrax, Flavour Fragr. J., 20, 2005, 70-73.) NIST Spectra nist ri
      1682 (Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 60C(10min) =>4C/min=> 220C(10min)=> 1C/min =>240C; CAS no: 124765; Active phase: HP-Innowax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tabanca, N.; Kirimer, N.; Demirci, B.; Demirci, F.; Can Baser, K.H., Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol, J. Agric. Food Chem., 49, 2001, 4300-4303.) NIST Spectra nist ri
      1664 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 35 C; End T: 250 C; CAS no: 124765; Active phase: HP-Innowax; Data type: Normal alkane RI; Authors: Ong, P.K.C.; Acree, T.E., Gas chromatography/olfactory analysis of lychee (Litchi chinesis Sonn.), J. Agric. Food Chem., 46(6), 1998, 2282-2286.) NIST Spectra nist ri
      1655 (Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Description: 40C(5min) => 4C/min => 170C =>8C/min =>240C (12min); CAS no: 124765; Active phase: FFAP; Carrier gas: H2; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Reddy, M.V.B.; Angers, P.; Gosselin, A.; Arul, J., Characterization and use of essential oil from Thymus vulgaris against Botrytis cinerea and Rhizopus stolonifer in strawberry fruits, Phytochemistry, 47(8), 1998, 1515-1520.) NIST Spectra nist ri
      1654 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R., Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry, J. Chromatogr. A, 697, 1995, 501-513.) NIST Spectra nist ri
      1678 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 2 m; Column type: Packed; Heat rate: 4 K/min; Start T: 65 C; End T: 220 C; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: Hydrogen; Substrate: Gas-Chrom Z (80-100 mesh); Data type: Normal alkane RI; Authors: Stancher, B.; Pertoldi, M.G., Characterization of commercial materials used in synthetic essential oil production. Identification and gas-chromatographic determination of impurities, Rassegna chimica, 19(3), 1967, 99-109.) NIST Spectra nist ri
      1680 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 2 m; Column type: Packed; Heat rate: 4 K/min; Start T: 65 C; End T: 220 C; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: Hydrogen; Substrate: Gas-Chrom Z (80-100 mesh); Data type: Normal alkane RI; Authors: Stancher, B.; Pertoldi, M.G., Characterization of commercial materials used in synthetic essential oil production. Identification and gas-chromatographic determination of impurities, Rassegna chimica, 19(3), 1967, 99-109.) NIST Spectra nist ri
    • Retention Index (Linear):

      1146 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 220 C; End time: 20 min; CAS no: 124765; Active phase: BP-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J., Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria, Flavour Fragr. J., 21, 2006, 368-372.) NIST Spectra nist ri
      1174 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 250 C; End time: 15 min; Start time: 3 min; CAS no: 124765; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Radulovic, N.; Mananjarasoa, E.; Harinantenaina, L.; Yoshinori, A., Essential oil composition of four Croton species from Madagascar and their chemotaxonomy, Biochem. Syst. Ecol., 34, 2006, 648-653.) NIST Spectra nist ri
      1175 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 250 C; End time: 15 min; Start time: 3 min; CAS no: 124765; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Boskovic, Z.; Radulovic, N.; Stojanovic, G., Essential oil composition of four Achillea species from the balkans and its chemotaxonomic significance, Chem. Nat. Compd. (Engl. Transl.), 41(6), 2005, 674-678.) NIST Spectra nist ri
      1134 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 250 C; Start time: 8 min; CAS no: 124765; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C., Chemical composition of the essential oil of Artemisia campestris L. from Algeria, Pharm. Biol., 43(6), 2005, 512-514.) NIST Spectra nist ri
      1144 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 70 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.2 um; Data type: Linear RI; Authors: Cavaleiro, C.; Salgueiro, L.R.; Miguel, M.G.; da Cunha, A.P., Analysis by gas chromatography?mass spectrometry of the volatile components of Teucrium lusitanicum and Teucrium algarbiensis, J. Chromatogr. A, 1033, 2004, 187-190.) NIST Spectra nist ri
      1145 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 70 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.2 um; Data type: Linear RI; Authors: Cavaleiro, C.; Salgueiro, L.R.; da Cunha, A.P.; Figueiredo, A.C.; Barroso, J.G.; Bighelli, A.; Casanova, J., Composition and variability of the essential oils of the leaves and berries from Juniperus navicularis, Biochem. Syst. Ecol., 31, 2003, 193-201., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 230 C; End time: 35 min; CAS no: 124765; Active phase: BP-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Mariotti, J.P.; Tomi, F.; Casanova, J.; Costa, J.; Bernardini, A.F., Composition of the essential oil of Cistus Iadaniferus L. cultivated in corsica (France), Flavour Fragr. J., 12, 1997, 147-151.) NIST Spectra nist ri
      1130.7 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 325 C; CAS no: 124765; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003.) NIST Spectra nist ri
      1139 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 280 C; Start time: 6 min; CAS no: 124765; Active phase: CP Sil 5 CB; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Pino, J.A.; Marbot, R.; Quert, R.; Garcia, H., Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, grown in Cuba, Flavour Fragr. J., 17, 2002, 1-4.) NIST Spectra nist ri
      1138 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 280 C; End time: 60 min; Start time: 10 min; CAS no: 124765; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.4 um; Data type: Linear RI; Authors: Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 50, 2002, 6023-6026.) NIST Spectra nist ri
      1153 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 75 C; End T: 230 C; Start time: 10 min; CAS no: 124765; Active phase: DB-5; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: bin Jantan, I.; Yassin, M.S.M.; Chin, C.B.; Chen, L.L.; Sim. N.L., Antifungal activity of the essential oils of nine Zingiberaceae species, Pharm. Biol., 41(5), 2003, 392-397., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 290 C; End time: 5 min; Start time: 2 min; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Bartley, J.P.; Jacobs, A.L., Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 80, 2000, 209-215., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 180 C; End time: 1 min; Start time: 10 min; CAS no: 124765; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: bin Jantan, I.; Basni, I.; Ahmad, A.S.; Ali, N.A.M.; Ahmad, A.R.; Ibrahim, H., Constituents of the rhizome oils of Boesenbergia pandurata (Roxb.) Schlecht from Malaysia, Indonesia and Thailand, Flavour Fragr. J., 16, 2001, 110-112.) NIST Spectra nist ri
      1142 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 220 C; End time: 20 min; CAS no: 124765; Active phase: BP-1; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Rezzi, S.; Cavaleiro, C.; Bighelli, A.; Salgueiro, L.; da Cunha, A.P.; Casanova, J., Intraspecific chemical variability of the leaf essential oil of Juniperus phoenicea subsp. turbinata from Corsica, Biochem. Syst. Ecol., 29, 2001, 179-188.) NIST Spectra nist ri
      1131 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 50 C; End T: 200 C; End time: 20 min; Start time: 1 min; CAS no: 124765; Active phase: OV-1; Phase thickness: 0.3 um; Data type: Linear RI; Authors: Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 13, 1998, 40-46.) NIST Spectra nist ri
      1157 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 124765; Active phase: CP Sil 5 CB; Data type: Linear RI; Authors: Chanegriha, N.; Baaliouamer, A.; Rolando, C., Polarity changes during capillary gas chromatographic and gas chromatographic-mass spectrometric analysis using serially coupled columns of different natures and temperature programming. Application to the identification of constituents of essential oils, J. Chromatogr. A, 819, 1998, 61-65.) NIST Spectra nist ri
      1159 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 45 C; End T: 250 C; Start time: 6 min; CAS no: 124765; Active phase: RTX-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G., Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography, J. Chromatogr. A, 970, 2002, 225-234., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4.3 K/min; Start T: 50 C; End T: 285 C; CAS no: 124765; Active phase: HP-5MS; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S., Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia, Flavour Fragr. J., 21, 2006, 458-461., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 40 C; End T: 200 C; CAS no: 124765; Active phase: Methyl Silicone; Carrier gas: He; Phase thickness: 0.3 um; Data type: Linear RI; Authors: Piry, J.; Pribela, A.; Durcanska, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 54, 1995, 73-77.) NIST Spectra nist ri
      1137 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 80 C; End T: 230 C; End time: 16 min; Start time: 8 min; CAS no: 124765; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.11 um; Data type: Linear RI; Authors: Chanegriha, N.; Baaliouamer, A., Evaluation of series-coupled gas chromatographic capillaries of different polarities. Application to the resolution of problem pairs of constituents in Algerian cypress essential oil, J. Chromatogr., 633, 1993, 163-168.) NIST Spectra nist ri
      1155 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 50 C; End T: 250 C; CAS no: 124765; Active phase: ZB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C., Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark, J. Braz. Chem., 18(5), 2007, 879-885.) NIST Spectra nist ri
      1162.5 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 300 C; CAS no: 124765; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 595, 2007, 328-339.) NIST Spectra nist ri
      1161 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; Start time: 2 min; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C., Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species, J. Braz. Chem. Soc., 17(3), 2006, 555-561.) NIST Spectra nist ri
      1181 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 35C(5min) =>3C/min =>210C =>40C/min =>240C (4min); CAS no: 124765; Active phase: BPX-5; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 20, 2006, 2823-2836.) NIST Spectra nist ri
      1148 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 250 C; End time: 15 min; Start time: 3 min; CAS no: 124765; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Boskovic, Z.; Radulovic, N.; Stojanovic, G., Essential oil composition of four Achillea species from the balkans and its chemotaxonomic significance, Chem. Nat. Compd. (Engl. Transl.), 41(6), 2005, 674-678.) NIST Spectra nist ri
      1156 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 250 C; CAS no: 124765; Active phase: SE-54; Carrier gas: H2; Phase thickness: 0.2 um; Data type: Linear RI; Authors: Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F., Composition and antimicrobial activity of the essential oil from Aloysia sellowii, J. Braz. Chem. Soc., 16(6B), 2005, 1458-1462., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 45 C; End T: 250 C; Start time: 6 min; CAS no: 124765; Active phase: RTX-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G., Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography, J. Chromatogr. A, 970, 2002, 225-234., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 50 C; End T: 250 C; CAS no: 124765; Active phase: DB-5; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E., Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system, J. Chromatogr. A, 814, 1998, 253-260.) NIST Spectra nist ri
      1164 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 280 C; Start time: 2 min; CAS no: 124765; Active phase: DB-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Mardarowicz, M.; Wianowska, D.; Dawidowicz, A.L.; Sawicki, R., The influence of sample treatment on SPME extracts from conifers. I. Comparison of terpene composition in Engelmann Spruce (Picea engelmanii) using hydrodistillation, SPME and PLE, Annales Universitatis Mariae Curie-Sklodowska Lublin - Polonia, 59(3), 2004, 25-42.) NIST Spectra nist ri
      1158 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 45 C; End T: 300 C; End time: 10 min; Start time: 6 min; CAS no: 124765; Active phase: RTX-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 17, 2002, 335-340.) NIST Spectra nist ri
      1154 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 380 C; CAS no: 124765; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C., Composition of the essential oils of Argyranthemum species growing in the Canary Islands, Flavour Fragr. J., 16, 2001, 103-106.) NIST Spectra nist ri
      1160 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Description: 45 C (6 min) ^ 3 C/min -> 111 0C ^ 2 C/min -> 160 C ^ 3 C/min -> 300 C (15 min); CAS no: 124765; Active phase: SE-52; Carrier gas: He; Phase thickness: 0.40 um; Data type: Linear RI; Authors: Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 7(6), 1995, 581-591.) NIST Spectra nist ri
      1664 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 220 C; End time: 20 min; CAS no: 124765; Active phase: BP-20; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J., Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria, Flavour Fragr. J., 21, 2006, 368-372.) NIST Spectra nist ri
      1665 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 70 C; End T: 220 C; End time: 15 min; CAS no: 124765; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.2 um; Data type: Linear RI; Authors: Cavaleiro, C.; Salgueiro, L.R.; Miguel, M.G.; da Cunha, A.P., Analysis by gas chromatography?mass spectrometry of the volatile components of Teucrium lusitanicum and Teucrium algarbiensis, J. Chromatogr. A, 1033, 2004, 187-190.) NIST Spectra nist ri
      1642 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 45 C; End T: 250 C; End time: 10 min; Start time: 6 min; CAS no: 124765; Active phase: RTX-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 17, 2002, 335-340.) NIST Spectra nist ri
      1633 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 65 C; End T: 250 C; End time: 60 min; Start time: 10 min; CAS no: 124765; Active phase: AT-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Pino, J.A.; Marbot, R.; Quert, R.; Garcia, H., Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, grown in Cuba, Flavour Fragr. J., 17, 2002, 1-4., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 65 C; End T: 250 C; End time: 60 min; Start time: 10 min; CAS no: 124765; Active phase: AT-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 50, 2002, 6023-6026.) NIST Spectra nist ri
      1670 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.5 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 290 C; End time: 5 min; Start time: 2 min; CAS no: 124765; Active phase: DB-Wax; Carrier gas: He; Phase thickness: 0.32 um; Data type: Linear RI; Authors: Bartley, J.P.; Jacobs, A.L., Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 80, 2000, 209-215.) NIST Spectra nist ri
      1672 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 50 C; End T: 200 C; End time: 20 min; Start time: 1 min; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: H2; Phase thickness: 0.3 um; Data type: Linear RI; Authors: Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 13, 1998, 40-46., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 220 C; End time: 20 min; Start time: 3 min; CAS no: 124765; Active phase: DB-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Humpf, H.-U.; Schreier, P., Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.), J. Agric. Food Chem., 39(10), 1991, 1830-1832.) NIST Spectra nist ri
      1660 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 30 C; End T: 170 C; End time: 20 min; Start time: 2 min; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: He; Phase thickness: 0.2 um; Data type: Linear RI; Authors: Piry, J.; Pribela, A.; Durcanska, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 54, 1995, 73-77., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 124765; Active phase: BP-20; Carrier gas: He; Data type: Linear RI; Authors: Chanegriha, N.; Baaliouamer, A.; Rolando, C., Polarity changes during capillary gas chromatographic and gas chromatographic-mass spectrometric analysis using serially coupled columns of different natures and temperature programming. Application to the identification of constituents of essential oils, J. Chromatogr. A, 819, 1998, 61-65.) NIST Spectra nist ri
      1671 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 230 C; End time: 35 min; CAS no: 124765; Active phase: BP-20; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Mariotti, J.P.; Tomi, F.; Casanova, J.; Costa, J.; Bernardini, A.F., Composition of the essential oil of Cistus Iadaniferus L. cultivated in corsica (France), Flavour Fragr. J., 12, 1997, 147-151.) NIST Spectra nist ri
      1659 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 45 C; End T: 300 C; End time: 20 min; Start time: 3 min; CAS no: 124765; Active phase: Carbowax 20M; Carrier gas: He; Phase thickness: 0.425 um; Data type: Linear RI; Authors: Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 7(6), 1995, 581-591.) NIST Spectra nist ri
      1696 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.75 mm; Column length: 150 m; Column type: Capillary; CAS no: 124765; Active phase: Carbowax 20M; Data type: Linear RI; Authors: Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 29, 1981, 195-208.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 212.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.1±6.0 kJ/mol
Flash Point: 80.7±10.9 °C
Index of Refraction: 1.502
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 54.20
ACD/KOC (pH 5.5): 606.48
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 54.20
ACD/KOC (pH 7.4): 606.48
Polar Surface Area: 20 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 155.4±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.85
    Log Kow (Exper. database match) =  3.24
       Exper. Ref:  Griffin,S et al. (1999)
    Log Kow (Exper. database match) =  3.01
       Exper. Ref:  Griffin,S et al. (1999)
    Log Kow (Exper. database match) =  2.69
       Exper. Ref:  Chem Inspect Test Inst (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  209.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000429  (Modified Grain method)
    MP  (exp database):  207 deg C
    BP  (exp database):  210 deg C
    VP  (exp database):  5.02E-02 mm Hg at 25 deg C
    Subcooled liquid VP: 3.17 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1186
       log Kow used: 2.69 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  740 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  738 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  742.39 mg/L
    Wat Sol (Exper. database match) =  740.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
    Wat Sol (Exper. database match) =  738.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.70E-006  atm-m3/mole
   Group Method:   2.94E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.341E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.69  (exp database)
  Log Kaw used:  -3.562  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.252
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4650
   Biowin2 (Non-Linear Model)     :   0.1809
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5940  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4478  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6349
   Biowin6 (MITI Non-Linear Model):   0.5947
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2195
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  423 Pa (3.17 mm Hg)
  Log Koa (Koawin est  ): 6.252
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.1E-009 
       Octanol/air (Koa) model:  4.39E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.56E-007 
       Mackay model           :  5.68E-007 
       Octanol/air (Koa) model:  3.51E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.4080 E-12 cm3/molecule-sec
      Half-Life =     0.938 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.251 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.12E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  56.72
      Log Koc:  1.754 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.371 (BCF = 23.51)
       log Kow used: 2.69 (expkow database)

 Volatilization from Water:
    Henry LC:  2.94E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      248.6  hours   (10.36 days)
    Half-Life from Model Lake :       2816  hours   (117.3 days)

 Removal In Wastewater Treatment:
    Total removal:               3.93  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.66  percent
    Total to Air:                0.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.839           22.5         1000       
   Water     21.2            900          1000       
   Soil      77.7            1.8e+003     1000       
   Sediment  0.25            8.1e+003     0          
     Persistence Time: 983 hr




                    

Click to predict properties on the Chemicalize site






Advertisement